6-triphenylen-2-ylquinoxaline

C26H16N2 — CID 118490639

IUPAC6-triphenylen-2-ylquinoxaline
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc4nccnc4c3)ccc21
InChIInChI=1S/C26H16N2/c1-2-7-21-19(5-1)20-6-3-4-8-22(20)24-15-17(9-11-23(21)24)18-10-12-25-26(16-18)28-14-13-27-25/h1-16H
InChIKeyJYORWUVVAVOJFE-UHFFFAOYSA-N
MW356.43 g/mol
LogP6.76
Rot. Bonds1

About 6-triphenylen-2-ylquinoxaline

6-triphenylen-2-ylquinoxaline (PubChem CID 118490639) has the molecular formula C26H16N2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-triphenylen-2-ylquinoxaline.

Molecular Properties

Compound Name6-triphenylen-2-ylquinoxaline
PubChem CID118490639
Molecular FormulaC26H16N2
Molecular Weight356.43 g/mol
Exact Mass356.13
IUPAC Name6-triphenylen-2-ylquinoxaline
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc4nccnc4c3)ccc21
InChIInChI=1S/C26H16N2/c1-2-7-21-19(5-1)20-6-3-4-8-22(20)24-15-17(9-11-23(21)24)18-10-12-25-26(16-18)28-14-13-27-25/h1-16H
InChIKeyJYORWUVVAVOJFE-UHFFFAOYSA-N
XLogP6.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-triphenylen-2-ylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-triphenylen-2-ylquinoxaline?
The IUPAC name of 6-triphenylen-2-ylquinoxaline (CID 118490639) is 6-triphenylen-2-ylquinoxaline.
What is the SMILES notation for 6-triphenylen-2-ylquinoxaline?
The canonical SMILES for 6-triphenylen-2-ylquinoxaline is c1ccc2c(c1)c1ccccc1c1cc(-c3ccc4nccnc4c3)ccc21.
What is the InChIKey of 6-triphenylen-2-ylquinoxaline?
The InChIKey is JYORWUVVAVOJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2/c1-2-7-21-19(5-1)20-6-3-4-8-22(20)24-15-17(9-11-23(21)24)18-10-12-25-26(16-18)28-14-13-27-25/h1-16H.
What are the key properties of 6-triphenylen-2-ylquinoxaline?
6-triphenylen-2-ylquinoxaline has a molecular weight of 356.43 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triphenylen-2-ylquinoxaline is sourced from PubChem (CID 118490639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).